SCHEMBL4388596

SCHEMBL4388596

CN(CCc1cc(F)ccc1Br)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2A P28223 1/20 0.41
RIPK1 Q13546 3/20 0.40
SSTR4 P31391 1/20 0.39
PDK2 Q15119 1/20 0.38
NR3C1 P04150 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR6 P50406 1/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
IDH1 O75874 1/20 0.34
PKM P14618 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23105683 0.88 RIPK1 (0.49) HTR2CSLC6A4HTR2ARIPK1SSTR4
SCHEMBL4382973 0.85 HTR2C (0.41) HTR2CSLC6A4HTR2ARIPK1PDK2
SCHEMBL2189394 0.82 TAAR1 (0.54) HTR2CSLC6A4RIPK1SSTR4PDK2
SCHEMBL12715855 0.81 GRM2 (0.43) HTR2CSLC6A4HTR2ARIPK1SSTR4
SCHEMBL27730949 0.81 RIPK1 (0.40) RIPK1TAAR1CDK4CCND1PKM
SCHEMBL1129072 0.80 SSTR4 (0.39) HTR2CSLC6A4HTR2ASSTR4PDK2
SCHEMBL14326997 0.78 TAAR1 (0.50) RIPK1PDK2TAAR1
SCHEMBL25367105 0.78 SSTR4 (0.40) HTR2CSLC6A4HTR2ARIPK1SSTR4
SCHEMBL24552685 0.78 PKM (0.49) HTR2CSLC6A4HTR2ASSTR4PDK2
SCHEMBL29732474 0.78 PKM (0.49) HTR2CSLC6A4HTR2ASSTR4PDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
EP-1893575-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2006134499-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-12-21 WO disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 HTR2C 73/4885SLC6A4 70/4885HTR2A 121/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.